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10136-64-8 molecular structure
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6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-amine

ChemBase ID: 231435
Molecular Formular: C10H8N4S
Molecular Mass: 216.26232
Monoisotopic Mass: 216.04696728
SMILES and InChIs

SMILES:
c12n(nc(s1)N)cc(n2)c1ccccc1
Canonical SMILES:
Nc1sc2n(n1)cc(n2)c1ccccc1
InChI:
InChI=1S/C10H8N4S/c11-9-13-14-6-8(12-10(14)15-9)7-4-2-1-3-5-7/h1-6H,(H2,11,13)
InChIKey:
URINLJMMDZLYSE-UHFFFAOYSA-N

Cite this record

CBID:231435 http://www.chembase.cn/molecule-231435.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-amine
IUPAC Traditional name
6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-amine
Synonyms
6-Phenyl-imidazo[2,1-b][1,3,4]thiadiazol-2-ylamine
CAS Number
10136-64-8
MDL Number
MFCD03969504
PubChem SID
164287345
PubChem CID
641875

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Enamine
EN300-05208 external link Add to cart Please log in.
Data Source Data ID
PubChem 641875 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 14.734707  H Acceptors
H Donor LogD (pH = 5.5) 2.89463 
LogD (pH = 7.4) 2.8976612  Log P 2.8977 
Molar Refractivity 80.547 cm3 Polarizability 23.16985 Å3
Polar Surface Area 56.21 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Melting Point
183 - 185°C expand Show data source
Hydrophobicity(logP)
2.304 expand Show data source
Purity
95% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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